Vitas-M small molecule compound
4,4'-benzene-1,4-diylbis(2-amino-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile)
Catalog ID
STK763336
SMILES N#CC1=C(N)OC2=C(C1c1ccc(cc1)C1C(=C(N)OC3=C1C(=O)CCC3)C#N)C(=O)CCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H22N4O4 MW 454.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4/c27-11-15-21(23-17(31)3-1-5-19(23)33-25(15)29)13-7-9-14(10-8-13)22-16(12-28)26(30)34-20-6-2-4-18(32)24(20)22/h7-10,21-22H,1-6,29-30H2InChIKey
HKWGHICAKOLXTP-UHFFFAOYSA-NSynonyms
2AMINO4(4(2AMINO3CYANO5OXO(4H678TRIHYDROCHROMEN4YL))PHENYL)5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2amino4(4(2amino3cyano5oxo4678tetrahydrochromen4yl)phenyl)5oxo4678tetrahydrochromene3carbonitrile
44benzene14diylbis(2amino5oxo5678tetrahydro4Hchromene3carbonitrile)
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C4C(=C(OC5=C4C(=O)CCC5)N)C#N)C(=O)C1
InChI=1SC26H22N4O4c27111521(2317(31)31519(23)3325(15)29)137914(10813)2216(1228)26(30)342062418(32)24(20)22h7102122H162930H2
MFCD02647232
ZINC000002503558
ZINC000018098125
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